2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-piperidin-1-ylbutanoic acid

C14H26N2O4 — CID 18768937

IUPAC2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-piperidin-1-ylbutanoic acid
SMILESCC(C)(C)OC(=O)NC(CCN1CCCCC1)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-14(2,3)20-13(19)15-11(12(17)18)7-10-16-8-5-4-6-9-16/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyKWTNPNHTVKVALZ-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.84
Rot. Bonds5

About 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-piperidin-1-ylbutanoic acid

2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-piperidin-1-ylbutanoic acid (PubChem CID 18768937) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-piperidin-1-ylbutanoic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-piperidin-1-ylbutanoic acid
PubChem CID18768937
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-piperidin-1-ylbutanoic acid
SMILESCC(C)(C)OC(=O)NC(CCN1CCCCC1)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-14(2,3)20-13(19)15-11(12(17)18)7-10-16-8-5-4-6-9-16/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyKWTNPNHTVKVALZ-UHFFFAOYSA-N
XLogP1.84
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Amino-1-(tert-butoxycarbonyl)piperidine-4-carboxylic acid
CID 693797
4-[(tert-Butoxycarbonyl)amino]piperidine-4-carboxylic acid
CID 1268236
1-(tert-Butoxycarbonyl)-4-((tert-butoxycarbonyl)amino)piperidine-4-carboxylic acid
CID 1268225
(2S)-2,4-bis({[(tert-butoxy)carbonyl]amino})butanoic acid
CID 7015751
(2S)-4-amino-2-(((tert-butoxy)carbonyl)amino)butanoic acid
CID 7019666
2-(4-{[(Tert-butoxy)carbonyl]amino}piperidin-1-yl)acetic acid
CID 18670180
2-(3-(((Tert-butoxy)carbonyl)amino)-2-oxopiperidin-1-yl)acetic acid
CID 19352050
Butanoic acid, 4-(dimethylamino)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (2S)-
CID 59166454
4-(4-(((Tert-butoxy)carbonyl)amino)piperidin-1-yl)butanoic acid
CID 75430890
1-[(Tert-butoxy)carbonyl]-4-(dimethylamino)piperidine-4-carboxylic acid
CID 84809859
(R)-2-(Boc-amino)-4-(dimethylamino)butanoic acid
CID 95298289
2-{[(Tert-butoxy)carbonyl]amino}-3-(piperidin-1-yl)propanoic acid hydrochloride
CID 119031126

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-piperidin-1-ylbutanoic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-piperidin-1-ylbutanoic acid (CID 18768937) is 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-piperidin-1-ylbutanoic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-piperidin-1-ylbutanoic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-piperidin-1-ylbutanoic acid is CC(C)(C)OC(=O)NC(CCN1CCCCC1)C(=O)O.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-piperidin-1-ylbutanoic acid?
The InChIKey is KWTNPNHTVKVALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-14(2,3)20-13(19)15-11(12(17)18)7-10-16-8-5-4-6-9-16/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-piperidin-1-ylbutanoic acid?
2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-piperidin-1-ylbutanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-piperidin-1-ylbutanoic acid is sourced from PubChem (CID 18768937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).